Iron in the structure of Structure of House Fly Cytochrome B5 (pdb 2ibj)

The binding sites of Iron atom in the structure of Structure of House Fly Cytochrome B5 (pdb code 2ibj). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2ibj structure was solved by S.TERZYAN, X.C.ZHANG, D.R.BENSON, L.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:

Resolution (A)

50.0-1.6

Space group

P212121

a (A)

33.201

b (A)

40.222

c (A)

70.245

alpha (°)

90.00

beta (°)

90.00

gamma (°)

90.00

Rfactor (%)

16.3

Rfree (%)

19.4

Iron Binding Sites:

Iron binding site 1 out of 2 in 2ibj

Click to enlarge

Click to enlarge

Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2ibj. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His39, A: His63, A: Hem201,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His39

1.93

Fe

ND1 A:His39

4.02

Fe

CD2 A:His39

2.98

Fe

CE1 A:His39

2.88

Fe

CG A:His39

4.08

Fe

NE2 A:His63

2.13

Fe

ND1 A:His63

4.23

Fe

CD2 A:His63

3.16

Fe

CE1 A:His63

3.08

Fe

CG A:His63

4.29

Fe

C2D A:Hem201

4.30

Fe

C2D A:Hem201

4.19

Fe

NC A:Hem201

1.99

Fe

NC A:Hem201

1.89

Fe

CHB A:Hem201

3.41

Fe

CHB A:Hem201

3.54

Fe

CHC A:Hem201

3.48

Fe

CHC A:Hem201

3.34

Fe

C3D A:Hem201

4.30

Fe

C3D A:Hem201

4.26

Fe

NA A:Hem201

1.98

Fe

NA A:Hem201

2.14

Fe

CHA A:Hem201

3.40

Fe

CHA A:Hem201

3.49

Fe

C2A A:Hem201

4.22

Fe

C2A A:Hem201

4.37

Fe

C1D A:Hem201

3.06

Fe

C1D A:Hem201

2.93

Fe

C4A A:Hem201

3.04

Fe

C4A A:Hem201

3.20

Fe

C4B A:Hem201

3.06

Fe

C4B A:Hem201

2.99

Fe

C3A A:Hem201

4.24

Fe

C3A A:Hem201

4.39

Fe

C4C A:Hem201

3.06

Fe

C4C A:Hem201

2.95

Fe

C2B A:Hem201

4.21

Fe

C2B A:Hem201

4.25

Fe

C1C A:Hem201

3.08

Fe

C1C A:Hem201

2.95

Fe

C2C A:Hem201

4.32

Fe

C2C A:Hem201

4.17

Fe

ND A:Hem201

1.98

Fe

ND A:Hem201

1.92

Fe

CHD A:Hem201

3.44

Fe

CHD A:Hem201

3.32

Fe

C1B A:Hem201

3.00

Fe

C1B A:Hem201

3.07

Fe

NB A:Hem201

1.97

Fe

NB A:Hem201

1.98

Fe

FE A:Hem201

0.00

Fe

FE A:Hem201

0.26

Fe

C3C A:Hem201

4.31

Fe

C3C A:Hem201

4.20

Fe

C3B A:Hem201

4.29

Fe

C3B A:Hem201

4.25

Fe

C4D A:Hem201

3.04

Fe

C4D A:Hem201

3.04

Fe

C1A A:Hem201

3.03

Fe

C1A A:Hem201

3.17

interactive model:

Iron binding site 2 out of 2 in 2ibj

Click to enlarge

Click to enlarge

Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2ibj. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His39, A: His63, A: Hem201,